Structure And Alignment Of Membrane-associated Peptaibols By Oriented 15N And 31P Solid-state NMR Spectroscopy

Abstract

proteins is sought, corresponding to the large-scale collective motions of atoms. Here, the subspace iteration method is applied to all-atom representations of proteins to demonstrate its suitability to protein normal mode analysis. Important properties are that computational cost increases linearly with the required number of lowest eigenpairs and the method is robust computationally. Additionally, the procedure is particularly well suited to cases where numerous analyses are performed for nearby conformational substates, such as in conformational pathway analysis. Finally, the method is amenable to parallel implementation.